2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide

C22H22N8OS — CID 138591338

IUPAC2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCN(C)c1ncc(-c2cc3cc(NC(=O)c4ccnc(N5CC(N)C5)c4)ncc3cn2)s1
InChIInChI=1S/C22H22N8OS/c1-29(2)22-27-10-18(32-22)17-5-14-6-19(26-9-15(14)8-25-17)28-21(31)13-3-4-24-20(7-13)30-11-16(23)12-30/h3-10,16H,11-12,23H2,1-2H3,(H,26,28,31)
InChIKeyAPBCZOOSCLJHRN-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide

2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (PubChem CID 138591338) has the molecular formula C22H22N8OS and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
PubChem CID138591338
Molecular FormulaC22H22N8OS
Molecular Weight446.54 g/mol
Exact Mass446.16
IUPAC Name2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
SMILESCN(C)c1ncc(-c2cc3cc(NC(=O)c4ccnc(N5CC(N)C5)c4)ncc3cn2)s1
InChIInChI=1S/C22H22N8OS/c1-29(2)22-27-10-18(32-22)17-5-14-6-19(26-9-15(14)8-25-17)28-21(31)13-3-4-24-20(7-13)30-11-16(23)12-30/h3-10,16H,11-12,23H2,1-2H3,(H,26,28,31)
InChIKeyAPBCZOOSCLJHRN-UHFFFAOYSA-N
XLogP2.61
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138589135
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
2-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590650
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138587812
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
CID 138591723
2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590113
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048
N-[6-[(Z)-2-(dimethylamino)-1-(methylideneamino)ethenyl]isoquinolin-3-yl]-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carboxamide
CID 134399511

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide (CID 138591338) is 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is CN(C)c1ncc(-c2cc3cc(NC(=O)c4ccnc(N5CC(N)C5)c4)ncc3cn2)s1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
The InChIKey is APBCZOOSCLJHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8OS/c1-29(2)22-27-10-18(32-22)17-5-14-6-19(26-9-15(14)8-25-17)28-21(31)13-3-4-24-20(7-13)30-11-16(23)12-30/h3-10,16H,11-12,23H2,1-2H3,(H,26,28,31).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide?
2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138591338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).